4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid

C13H21N3O3 — CID 66252267

IUPAC4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(CCn1ccnc1)C1COCC1C(=O)O
InChIInChI=1S/C13H21N3O3/c1-2-4-16(7-6-15-5-3-14-10-15)12-9-19-8-11(12)13(17)18/h3,5,10-12H,2,4,6-9H2,1H3,(H,17,18)
InChIKeyGXBWTRYWYZMXFB-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.69
Rot. Bonds7

About 4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid

4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66252267) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66252267
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(CCn1ccnc1)C1COCC1C(=O)O
InChIInChI=1S/C13H21N3O3/c1-2-4-16(7-6-15-5-3-14-10-15)12-9-19-8-11(12)13(17)18/h3,5,10-12H,2,4,6-9H2,1H3,(H,17,18)
InChIKeyGXBWTRYWYZMXFB-UHFFFAOYSA-N
XLogP0.69
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254024
4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 114558026
4-[(1-ethylimidazol-2-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66251901
4-[but-3-ynyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253813
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 114558024
4-[4-methylsulfanylbutyl(propyl)amino]oxolane-3-carboxylic acid
CID 103090480
4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 114191556
4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66252286
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66252296
4-[2-hydroxybutyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253439
4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253874

Frequently Asked Questions

What is the IUPAC name of 4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid (CID 66252267) is 4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(CCn1ccnc1)C1COCC1C(=O)O.
What is the InChIKey of 4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is GXBWTRYWYZMXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-4-16(7-6-15-5-3-14-10-15)12-9-19-8-11(12)13(17)18/h3,5,10-12H,2,4,6-9H2,1H3,(H,17,18).
What are the key properties of 4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid?
4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).